Molecular dynamics simulation of structural evolution in crystalline and amorphous CuZr alloys upon ultrafast laser irradiation

A promising route for manufacturing emergent metamaterials is the use of ultrafast laser pulses in complex alloy processing. Laser-induced structural transformations Zr-based alloys crystalline and glassy states are investigated here. The thermomechanical response compared between relevant stable structures ${\mathrm{B}}_{2}\text{\ensuremath{-}}{\mathrm{Cu}}_{50}{\mathrm{Zr}}_{50}$, $\mathrm{C}{11}_{b}\text{\ensuremath{-}}{\mathrm{Cu}}_{33.3}{\mathrm{Zr}}_{66.7}$ amorphous $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Cu}}_{50}{\mathrm{Zr}}_{50}$, $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Cu}}_{33.3}{\mathrm{Zr}}_{66.7}$. subsurface modification resulting from irradiation by a hybrid simulation to capture phenomenon occurring at picosecond time scale. This combines two temperature model molecular dynamics approaches simulate matter interaction mesoscale. Our results indicate that involved strongly depend on initial atomic composition phase structure. In particular, martensite transition unveiled ${\mathrm{B}}_{2}$ alloy, defects induced irradiated $\mathrm{C}{11}_{b}$ phase, whereas state photoexcited metallic glasses remains remarkably preserved.